[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl-[(2S)-2-ethylhexyl]azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl-[(2S)-2-ethylhexyl]azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)phenyl]methyl-[(2S)-2-ethylhexyl]ammonium CAS Name: [4-(2-amino-2-oxoethoxy)phenyl]methyl-[(2S)-2-ethylhexyl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)phenyl]methyl-[(2S)-2-ethylhexyl]azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)benzyl]-[(2S)-2-ethylhexyl]ammonium Formula: C17H29N2O2+ MolecularWeight: 293.42436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[NH2+]CC1=CC=C(C=C1)OCC(=O)N

Isomeric SMILES

CCCC[C@H](CC)C[NH2+]CC1=CC=C(C=C1)OCC(=O)N

InChI

InChI=1S/C17H28N2O2/c1-3-5-6-14(4-2)11-19-12-15-7-9-16(10-8-15)21-13-17(18)20/h7-10,14,19H,3-6,11-13H2,1-2H3,(H2,18,20)/p+1/t14-/m0/s1